Package com.actelion.research.chem.io

Class NativeMDLReactionReader

java.lang.Object

com.actelion.research.chem.io.NativeMDLReactionReader

public class NativeMDLReactionReader
extends java.lang.Object

Constructor Summary

Constructors

Constructor	Description
NativeMDLReactionReader(java.lang.String directory)

Method Summary

Modifier and Type	Method	Description
java.lang.String	getCatalystData()
java.util.ArrayList<ExtendedMolecule>	getCatalysts()
java.lang.String[]	getFieldData(int reaction, int variation)
java.lang.String[]	getFieldNames()
int	getPointerErrors()
java.lang.String	getProductData()
java.lang.String	getReactantData()
Reaction	getReaction(int reaction, int variation)
int	getReactionCount()
java.lang.String	getSolventData()
java.util.ArrayList<ExtendedMolecule>	getSolvents()
int	getVariationCount(int regNo)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

NativeMDLReactionReader

public NativeMDLReactionReader(java.lang.String directory)
                        throws java.io.IOException

Throws:

java.io.IOException

Method Detail

getReactionCount

public int getReactionCount()

getPointerErrors

public int getPointerErrors()

getVariationCount

public int getVariationCount(int regNo)
                      throws java.io.IOException

Throws:

java.io.IOException

getReaction

public Reaction getReaction(int reaction,
                            int variation)
                     throws java.io.IOException

Throws:

java.io.IOException

getCatalysts

public java.util.ArrayList<ExtendedMolecule> getCatalysts()

getSolvents

public java.util.ArrayList<ExtendedMolecule> getSolvents()

getReactantData

public java.lang.String getReactantData()

getProductData

public java.lang.String getProductData()

getSolventData

public java.lang.String getSolventData()

getCatalystData

public java.lang.String getCatalystData()

getFieldNames

public java.lang.String[] getFieldNames()

getFieldData

public java.lang.String[] getFieldData(int reaction,
                                       int variation)